[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone

C24H27FN4O — CID 44783549

IUPAC[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2ccc(F)cc2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H27FN4O/c25-19-11-9-17(10-12-19)15-28-13-14-29(24(30)18-5-1-2-6-18)16-22(28)23-26-20-7-3-4-8-21(20)27-23/h3-4,7-12,18,22H,1-2,5-6,13-16H2,(H,26,27)
InChIKeyKKYPCBAJJOOWJX-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.28
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone

[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 44783549) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID44783549
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2ccc(F)cc2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H27FN4O/c25-19-11-9-17(10-12-19)15-28-13-14-29(24(30)18-5-1-2-6-18)16-22(28)23-26-20-7-3-4-8-21(20)27-23/h3-4,7-12,18,22H,1-2,5-6,13-16H2,(H,26,27)
InChIKeyKKYPCBAJJOOWJX-UHFFFAOYSA-N
XLogP4.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone (CID 44783549) is [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(Cc2ccc(F)cc2)C(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is KKYPCBAJJOOWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-19-11-9-17(10-12-19)15-28-13-14-29(24(30)18-5-1-2-6-18)16-22(28)23-26-20-7-3-4-8-21(20)27-23/h3-4,7-12,18,22H,1-2,5-6,13-16H2,(H,26,27).
What are the key properties of [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 406.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 44783549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).